Geometry & MOs

Info

ID:	330005
PubChem CID:	127246992
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	28.98
Dipole, Da:	4.96
IP(EA), eV:	-8.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)C3=CC(=NC=C3)N4CCCC4

DOS

IR

Vibrations